Large-scale ligand-based predictive modelling using support vector machines

Scaling Predictive Modeling in Drug Development with Cloud Computing

(2015) Behrooz Torabi Moghadam et al.   Journal of Chemical Information and Modeling

The ChEMBL database: a taster for medicinal chemists

(2014) George Papadatos et al.   Future Medicinal Chemistry

Ligand-Based Target Prediction with Signature Fingerprints

(2014) Jonathan Alvarsson et al.   Journal of Chemical Information and Modeling

Benchmarking Study of Parameter Variation When Using Signature Fingerprints Together with Support Vector Machines

(2014) Jonathan Alvarsson et al.   Journal of Chemical Information and Modeling

Open Source Drug Discovery with Bioclipse

(2013) Ola Spjuth et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Chemical predictive modelling to improve compound quality

(2013) John G. Cumming et al.   NATURE REVIEWS DRUG DISCOVERY

Bioclipse-R: integrating management and visualization of life science data with statistical analysis

(2012) O. Spjuth et al.   BIOINFORMATICS

QSAR investigation of NaV1.7 active compounds using the SVM/Signature approach and the Bioclipse Modeling platform

(2012) Ulf Norinder et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Integrated Decision Support for Assessing Chemical Liabilities

(2011) Ola Spjuth et al.   Journal of Chemical Information and Modeling

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

In Silico Toxicology – Non-Testing Methods

(2011) Hannu Raunio   Frontiers in Pharmacology

Support vector machines: Development of QSAR models for predicting anti-HIV-1 activity of TIBO derivatives

(2010) Rachid Darnag et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Lipophilicity in drug discovery

(2010) Michael J Waring   Expert Opinion on Drug Discovery

Bioclipse 2: A scriptable integration platform for the life sciences

(2009) Ola Spjuth et al.   BMC BIOINFORMATICS

Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data

(2009) Lars Carlsson et al.   Journal of Chemical Information and Modeling

Computational toxicology in drug development

(2008) Wolfgang Muster et al.   DRUG DISCOVERY TODAY